[6-(hydroxymethyl)-1,2-dithiin-3-yl]methyl benzoate

Systemtic Name: [6-(hydroxymethyl)-1,2-dithiin-3-yl]methyl benzoate Openeye Name: [6-(hydroxymethyl)dithiin-3-yl]methyl benzoate CAS Name: benzoic acid [6-(hydroxymethyl)-3-dithiinyl]methyl ester IUPAC Name: [6-(hydroxymethyl)dithiin-3-yl]methyl benzoate Traditional Name: benzoic acid (6-methyloldithiin-3-yl)methyl ester Formula: C13H12O3S2 MolecularWeight: 280.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=CC=C(SS2)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=CC=C(SS2)CO

InChI

InChI=1S/C13H12O3S2/c14-8-11-6-7-12(18-17-11)9-16-13(15)10-4-2-1-3-5-10/h1-7,14H,8-9H2